6H-Purin-6-one, 1,7-dihydro-
- Formula: C5H4N4O
- Molecular weight: 136.1115
- IUPAC Standard InChI: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
- IUPAC Standard InChIKey: FDGQSTZJBFJUBT-UHFFFAOYSA-N
- CAS Registry Number: 68-94-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Hypoxanthine; Purin-6(1H)-one; Purin-6(3H)-one; Purin-6-ol; Sarcine; Sarkin; Sarkine; 3H-Purin-6-ol; 6-Hydroxy-1H-purine; 6-Hydroxypurine; 6-Oxopurine; 9H-Purin-6(1H)-one; 9H-Purin-6-ol; 1,7-Dihydro-6H-purine-6-one; 1,7-Dihydro-6H-purin-6-one; HX; 6(1H)-Purinone; Purine-6-ol; 6H-Purin-6-one, 1,9-dihydro-; Hypoxanthine enol; NSC 14665
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Condensed phase thermochemistry data
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -26.47 ± 0.18 | kcal/mol | Ccb | Stiehler and Huffman, 1935 | Reanalyzed by Cox and Pilcher, 1970, Original value = -27.63 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -580.42 ± 0.17 | kcal/mol | Ccb | Stiehler and Huffman, 1935 | Reanalyzed by Cox and Pilcher, 1970, Original value = -580.20 ± 0.14 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 34.80 | cal/mol*K | N/A | Stiehler and Huffman, 1935, 2 | Extrapolation below 90 K, 45.56 J/mol*K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 32.151 | 298.5 | Stiehler and Huffman, 1935, 2 | T = 85 to 298 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: William E. Acree, Jr., James S. Chickos
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 37.79 ± 0.38 | 448. | Teplitskii and Yanson, 1975 | Based on data from 423. to 473. K. |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stiehler and Huffman, 1935
Stiehler, R.D.; Huffman, H.M.,
Thermal data. IV. The heats of combustion of adenine, hypoxanthine, guanine, xanthine, uric acid, allantoin and alloxan,
J. Am. Chem. Soc., 1935, 57, 1734-1740. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Stiehler and Huffman, 1935, 2
Stiehler, R.D.; Huffman, H.M.,
Thermal data. V. The heat capacities, entropies and free energies of adenine, hypoxanthine, guanine, xanthine, uric acid, allantoin and alloxan,
J. Am. Chem. Soc., 1935, 57, 1741-1743. [all data]
Teplitskii and Yanson, 1975
Teplitskii, A.B.; Yanson, I.K.,
Effect of substituents on the heat of sublimation of nucleic acid nitrogenous bases,
Biofizika, 1975, 20, 189. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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